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Showing results 47794 to 47813 of 62969 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jan-2018RKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d)-650.403651087; Eh
thumbnail.jpeg27-Mar-2023REscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31G* SDD GENECP-8390.90206863; Eh
thumbnail.jpeg4-Sep-2023R1García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-908.823279197; Eh
Login required1-Apr-2022r1Sanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G(D) GENECP-231.567089343; Eh
thumbnail.jpeg7-Jul-2020R1sBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-9672.05337563; Eh
thumbnail.jpeg7-Jul-2020R1tBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* SDD GENECP-9672.05725859; Eh
thumbnail.jpeg7-Jul-2020R2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* GENECP-347.732015551; Eh
thumbnail.jpeg4-Sep-2023R2García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-908.828877823; Eh
Login required1-Apr-2022r2Sanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G(D) GENECP-409.451976868; Eh
thumbnail.jpeg4-Sep-2023R3García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-908.826320590; Eh
thumbnail.jpeg4-Sep-2023R4García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-908.820495275; Eh
thumbnail.jpeg4-Sep-2023R5García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-908.875780935; Eh
thumbnail.jpeg27-Mar-2023R_Int1Escofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31G* SDD GENECP-8820.52502340; Eh
thumbnail.jpeg29-Jan-2018R_napKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d)-803.930713522; Eh
thumbnail.jpeg23-Sep-2022/R_PhBpin C6F5-PhBpinJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP6-31G* GEN-981.814226552; Eh
thumbnail.jpeg23-Sep-2022/R_PhBpin mCF3-PhBpinJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP6-31G* GEN-822.725002500; Eh
thumbnail.jpeg23-Sep-2022/R_PhBpin mCl-PhBpinJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP6-31G* GEN-945.282502205; Eh
thumbnail.jpeg23-Sep-2022/R_PhBpin mCN-PhBpinJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP6-31G* GEN-577.932883571; Eh
thumbnail.jpeg23-Sep-2022/R_PhBpin mCOMe-PhBpinJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP6-31G* GEN-638.342080419; Eh
thumbnail.jpeg23-Sep-2022/R_PhBpin mF-PhBpinJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP6-31G* GEN-584.919083243; Eh